[gmx-users] editconf

[Nguyen Hoang Phuong]

the box size of the my simulation box is 4nm and d is 1.0. In the ouput
file there are some atoms of the solute whole coordinates have negative
values. GROMACS sets the origin of the coordinate frame at the corner of
the box, isn't it?

Phuong
------
On Tue, 16 Apr 2002, David van der Spoel wrote:

> On Tue, 16 Apr 2002, Nguyen Hoang Phuong wrote:
> 
> >
> >Hi All,
> >
> >there is an option -d in the program editconf. Is it the distant between
> >the center of mass of the solute and the box or the minimum solote-to-wall
> >distance?
> The latter, otherwise it would be just half the box size
> -- 
> Groeten, David.
> ________________________________________________________________________
> Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
> Husargatan 3, Box 576,  	75123 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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